CID 206153

Brn 2161088

Structural Information

Molecular Formula
C21H25NO2
SMILES
CCN(CC)CC1=C(C=CC2=C1C=CC3=CC=CC=C3C2O)OC
InChI
InChI=1S/C21H25NO2/c1-4-22(5-2)14-19-17-11-10-15-8-6-7-9-16(15)21(23)18(17)12-13-20(19)24-3/h6-13,21,23H,4-5,14H2,1-3H3
InChIKey
RZTROXDJYTXGSW-UHFFFAOYSA-N
Compound name
7-(diethylaminomethyl)-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.18854 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.195816 176.6
[M+Na]+ 346.177758 182.8
[M-H]- 322.181264 183.3
[M+NH4]+ 341.222363 192.4
[M+K]+ 362.151698 183.4
[M+H-H2O]+ 306.185800 171.0
[M+HCOO]- 368.186741 196.7
[M+CH3COO]- 382.202391 216.5
[M+Na-2H]- 344.163206 180.8
[M]+ 323.18799142 178.1
[M]- 323.18908858 178.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.